4'-Aminophenacyl bromide

CAT: 0127-OR313017-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR313017-01Size:100 mg

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CAS Number

23442-14-0

MDL Number

MFCD09744997

Purity

95%

Smiles

Nc1ccc(cc1)C(=O)CBr

Chemical Information

4'-Aminophenacyl bromide

CAS Number	23442-14-0
PubChem CID	11367874
IUPAC Name	1-(4-aminophenyl)-2-bromoethanone
Molecular Formula	C8H8BrNO
Molecular Weight	214.06
XLogP	1.6
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	141

SMILES

C1=CC(=CC=C1C(=O)CBr)N

InChI

InChI=1S/C8H8BrNO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5,10H2

InChIKey

KEDZCZPTPIYWLM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23442-14-0

CID: 11367874

Formula: C8H8BrNO

MW: 214.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.06
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	212.97893
Monoisotopic Mass	212.97893
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	141
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR321445	3-Aminophenacyl bromide
OR15985	2-Aminophenacyl chloride hydrochloride
OR1024620-01	4-Propylbenzyl Bromide
OR1078100	4-Phenylazophenacyl Bromide
PC3695-01	4-Fluorobenzyl bromide
OR9296-01	4-Phenoxybenzyl bromide
OR8750-01	4-Iodobenzyl bromide
OR16607-01	4-Methoxybenzyl bromide
OR8476-01	4-Chlorobenzyl bromide
OR01996-01	4-Acetamidophenacyl bromide

Catalog	Name
TRC-B519105-1G	4,4'-Difluorobenzhydryl Bromide
FN63910-01	4-nitrophenylethyl bromide
284538-01	4-Methoxybenzyl bromide
266150-01	4-Bromophenacyl bromide
433171-01	4-Methylphenethyl Bromide
431855-01	4-Chlorobenzyl bromide
431241-01	4-Bromobenzyl Bromide
161530	4-Nitrobenzyl Bromide
161369	4-Ethoxybenzyltriphenylphosphonium Bromide
TRC-N545090-1G	4-Nitrophenethyl Bromide